################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31054 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1D proton' . . . 31054 1 2 '2D DQF-COSY' . . . 31054 1 3 '2D 1H-1H TOCSY' . . . 31054 1 4 '2D 1H-1H NOESY' . . . 31054 1 5 '2D 1H-13C HSQC' . . . 31054 1 6 '2D 1H-15N HSQC' . . . 31054 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ARG HA H 1 4.033 0.002 . 1 . . . . A 1 ARG HA . 31054 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.901 0.003 . 2 . . . . A 1 ARG HB2 . 31054 1 3 . 1 . 1 1 1 ARG HB3 H 1 1.724 0.000 . 2 . . . . A 1 ARG HB3 . 31054 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.643 0.000 . 2 . . . . A 1 ARG HG2 . 31054 1 5 . 1 . 1 1 1 ARG HG3 H 1 1.610 0.000 . 2 . . . . A 1 ARG HG3 . 31054 1 6 . 1 . 1 1 1 ARG HD2 H 1 3.207 0.000 . 1 . . . . A 1 ARG HD2 . 31054 1 7 . 1 . 1 1 1 ARG HD3 H 1 3.207 0.000 . 1 . . . . A 1 ARG HD3 . 31054 1 8 . 1 . 1 1 1 ARG HE H 1 7.246 0.001 . 1 . . . . A 1 ARG HE . 31054 1 9 . 1 . 1 1 1 ARG NE N 15 84.188 0.000 . 1 . . . . A 1 ARG NE . 31054 1 10 . 1 . 1 2 2 ARG H H 1 8.868 0.002 . 1 . . . . A 2 ARG H . 31054 1 11 . 1 . 1 2 2 ARG HA H 1 4.386 0.001 . 1 . . . . A 2 ARG HA . 31054 1 12 . 1 . 1 2 2 ARG HB2 H 1 1.789 0.002 . 1 . . . . A 2 ARG HB2 . 31054 1 13 . 1 . 1 2 2 ARG HB3 H 1 1.789 0.002 . 1 . . . . A 2 ARG HB3 . 31054 1 14 . 1 . 1 2 2 ARG HG2 H 1 1.639 0.002 . 1 . . . . A 2 ARG HG2 . 31054 1 15 . 1 . 1 2 2 ARG HG3 H 1 1.639 0.002 . 1 . . . . A 2 ARG HG3 . 31054 1 16 . 1 . 1 2 2 ARG HD2 H 1 3.199 0.000 . 1 . . . . A 2 ARG HD2 . 31054 1 17 . 1 . 1 2 2 ARG HD3 H 1 3.199 0.000 . 1 . . . . A 2 ARG HD3 . 31054 1 18 . 1 . 1 2 2 ARG HE H 1 7.277 0.001 . 1 . . . . A 2 ARG HE . 31054 1 19 . 1 . 1 2 2 ARG CA C 13 56.133 0.000 . 1 . . . . A 2 ARG CA . 31054 1 20 . 1 . 1 2 2 ARG N N 15 124.723 0.000 . 1 . . . . A 2 ARG N . 31054 1 21 . 1 . 1 2 2 ARG NE N 15 84.511 0.000 . 1 . . . . A 2 ARG NE . 31054 1 22 . 1 . 1 3 3 ILE H H 1 8.411 0.001 . 1 . . . . A 3 ILE H . 31054 1 23 . 1 . 1 3 3 ILE HA H 1 4.036 0.000 . 1 . . . . A 3 ILE HA . 31054 1 24 . 1 . 1 3 3 ILE HB H 1 1.723 0.003 . 1 . . . . A 3 ILE HB . 31054 1 25 . 1 . 1 3 3 ILE HG12 H 1 1.060 0.002 . 2 . . . . A 3 ILE HG12 . 31054 1 26 . 1 . 1 3 3 ILE HG13 H 1 1.363 0.002 . 2 . . . . A 3 ILE HG13 . 31054 1 27 . 1 . 1 3 3 ILE HG21 H 1 0.749 0.001 . 1 . . . . A 3 ILE HG21 . 31054 1 28 . 1 . 1 3 3 ILE HG22 H 1 0.749 0.001 . 1 . . . . A 3 ILE HG22 . 31054 1 29 . 1 . 1 3 3 ILE HG23 H 1 0.749 0.001 . 1 . . . . A 3 ILE HG23 . 31054 1 30 . 1 . 1 3 3 ILE HD11 H 1 0.667 0.001 . 1 . . . . A 3 ILE HD11 . 31054 1 31 . 1 . 1 3 3 ILE HD12 H 1 0.667 0.001 . 1 . . . . A 3 ILE HD12 . 31054 1 32 . 1 . 1 3 3 ILE HD13 H 1 0.667 0.001 . 1 . . . . A 3 ILE HD13 . 31054 1 33 . 1 . 1 3 3 ILE CG2 C 13 17.274 0.000 . 1 . . . . A 3 ILE CG2 . 31054 1 34 . 1 . 1 3 3 ILE CD1 C 13 12.765 0.000 . 1 . . . . A 3 ILE CD1 . 31054 1 35 . 1 . 1 3 3 ILE N N 15 124.426 0.000 . 1 . . . . A 3 ILE N . 31054 1 36 . 1 . 1 4 4 ASP H H 1 8.540 0.001 . 1 . . . . A 4 ASP H . 31054 1 37 . 1 . 1 4 4 ASP HA H 1 4.697 0.002 . 1 . . . . A 4 ASP HA . 31054 1 38 . 1 . 1 4 4 ASP HB2 H 1 2.622 0.001 . 1 . . . . A 4 ASP HB2 . 31054 1 39 . 1 . 1 4 4 ASP HB3 H 1 3.073 0.002 . 1 . . . . A 4 ASP HB3 . 31054 1 40 . 1 . 1 4 4 ASP CA C 13 52.979 0.000 . 1 . . . . A 4 ASP CA . 31054 1 41 . 1 . 1 4 4 ASP N N 15 124.516 0.000 . 1 . . . . A 4 ASP N . 31054 1 42 . 1 . 1 5 5 CYS H H 1 8.895 0.002 . 1 . . . . A 5 CYS H . 31054 1 43 . 1 . 1 5 5 CYS HA H 1 4.691 0.002 . 1 . . . . A 5 CYS HA . 31054 1 44 . 1 . 1 5 5 CYS HB2 H 1 2.841 0.000 . 1 . . . . A 5 CYS HB2 . 31054 1 45 . 1 . 1 5 5 CYS HB3 H 1 3.222 0.002 . 1 . . . . A 5 CYS HB3 . 31054 1 46 . 1 . 1 5 5 CYS CA C 13 55.332 0.000 . 1 . . . . A 5 CYS CA . 31054 1 47 . 1 . 1 5 5 CYS N N 15 125.302 0.000 . 1 . . . . A 5 CYS N . 31054 1 48 . 1 . 1 6 6 LYS H H 1 8.580 0.001 . 1 . . . . A 6 LYS H . 31054 1 49 . 1 . 1 6 6 LYS HA H 1 4.155 0.002 . 1 . . . . A 6 LYS HA . 31054 1 50 . 1 . 1 6 6 LYS HB2 H 1 1.950 0.000 . 2 . . . . A 6 LYS HB2 . 31054 1 51 . 1 . 1 6 6 LYS HB3 H 1 1.825 0.001 . 2 . . . . A 6 LYS HB3 . 31054 1 52 . 1 . 1 6 6 LYS HG2 H 1 1.389 0.001 . 2 . . . . A 6 LYS HG2 . 31054 1 53 . 1 . 1 6 6 LYS HG3 H 1 1.499 0.001 . 2 . . . . A 6 LYS HG3 . 31054 1 54 . 1 . 1 6 6 LYS HD2 H 1 1.682 0.000 . 1 . . . . A 6 LYS HD2 . 31054 1 55 . 1 . 1 6 6 LYS HD3 H 1 1.682 0.000 . 1 . . . . A 6 LYS HD3 . 31054 1 56 . 1 . 1 6 6 LYS HE2 H 1 2.988 0.001 . 1 . . . . A 6 LYS HE2 . 31054 1 57 . 1 . 1 6 6 LYS HE3 H 1 2.988 0.001 . 1 . . . . A 6 LYS HE3 . 31054 1 58 . 1 . 1 6 6 LYS HZ1 H 1 7.595 0.003 . 1 . . . . A 6 LYS HZ1 . 31054 1 59 . 1 . 1 6 6 LYS HZ2 H 1 7.595 0.003 . 1 . . . . A 6 LYS HZ2 . 31054 1 60 . 1 . 1 6 6 LYS HZ3 H 1 7.595 0.003 . 1 . . . . A 6 LYS HZ3 . 31054 1 61 . 1 . 1 6 6 LYS CA C 13 57.830 0.000 . 1 . . . . A 6 LYS CA . 31054 1 62 . 1 . 1 6 6 LYS CD C 13 28.783 0.000 . 1 . . . . A 6 LYS CD . 31054 1 63 . 1 . 1 6 6 LYS N N 15 119.102 0.000 . 1 . . . . A 6 LYS N . 31054 1 64 . 1 . 1 7 7 VAL H H 1 7.251 0.002 . 1 . . . . A 7 VAL H . 31054 1 65 . 1 . 1 7 7 VAL HA H 1 3.835 0.002 . 1 . . . . A 7 VAL HA . 31054 1 66 . 1 . 1 7 7 VAL HB H 1 1.761 0.004 . 1 . . . . A 7 VAL HB . 31054 1 67 . 1 . 1 7 7 VAL HG11 H 1 0.314 0.001 . 2 . . . . A 7 VAL HG11 . 31054 1 68 . 1 . 1 7 7 VAL HG12 H 1 0.314 0.001 . 2 . . . . A 7 VAL HG12 . 31054 1 69 . 1 . 1 7 7 VAL HG13 H 1 0.314 0.001 . 2 . . . . A 7 VAL HG13 . 31054 1 70 . 1 . 1 7 7 VAL HG21 H 1 0.791 0.002 . 2 . . . . A 7 VAL HG21 . 31054 1 71 . 1 . 1 7 7 VAL HG22 H 1 0.791 0.002 . 2 . . . . A 7 VAL HG22 . 31054 1 72 . 1 . 1 7 7 VAL HG23 H 1 0.791 0.002 . 2 . . . . A 7 VAL HG23 . 31054 1 73 . 1 . 1 7 7 VAL CA C 13 63.693 0.000 . 1 . . . . A 7 VAL CA . 31054 1 74 . 1 . 1 7 7 VAL CB C 13 33.567 0.000 . 1 . . . . A 7 VAL CB . 31054 1 75 . 1 . 1 7 7 VAL CG1 C 13 20.464 0.000 . 2 . . . . A 7 VAL CG1 . 31054 1 76 . 1 . 1 7 7 VAL CG2 C 13 21.108 0.000 . 2 . . . . A 7 VAL CG2 . 31054 1 77 . 1 . 1 8 8 PHE H H 1 8.231 0.002 . 1 . . . . A 8 PHE H . 31054 1 78 . 1 . 1 8 8 PHE HA H 1 4.716 0.001 . 1 . . . . A 8 PHE HA . 31054 1 79 . 1 . 1 8 8 PHE HB2 H 1 2.710 0.002 . 1 . . . . A 8 PHE HB2 . 31054 1 80 . 1 . 1 8 8 PHE HB3 H 1 3.177 0.002 . 1 . . . . A 8 PHE HB3 . 31054 1 81 . 1 . 1 8 8 PHE HD1 H 1 7.367 0.002 . 1 . . . . A 8 PHE HD1 . 31054 1 82 . 1 . 1 8 8 PHE HD2 H 1 7.367 0.002 . 1 . . . . A 8 PHE HD2 . 31054 1 83 . 1 . 1 8 8 PHE HE1 H 1 7.417 0.002 . 1 . . . . A 8 PHE HE1 . 31054 1 84 . 1 . 1 8 8 PHE HE2 H 1 7.417 0.002 . 1 . . . . A 8 PHE HE2 . 31054 1 85 . 1 . 1 8 8 PHE CA C 13 57.346 0.000 . 1 . . . . A 8 PHE CA . 31054 1 86 . 1 . 1 8 8 PHE CE1 C 13 131.528 0.000 . 1 . . . . A 8 PHE CE1 . 31054 1 87 . 1 . 1 8 8 PHE CE2 C 13 131.528 0.000 . 1 . . . . A 8 PHE CE2 . 31054 1 88 . 1 . 1 8 8 PHE N N 15 123.031 0.000 . 1 . . . . A 8 PHE N . 31054 1 89 . 1 . 1 9 9 VAL H H 1 6.951 0.001 . 1 . . . . A 9 VAL H . 31054 1 90 . 1 . 1 9 9 VAL HA H 1 3.750 0.001 . 1 . . . . A 9 VAL HA . 31054 1 91 . 1 . 1 9 9 VAL HB H 1 1.825 0.004 . 1 . . . . A 9 VAL HB . 31054 1 92 . 1 . 1 9 9 VAL HG11 H 1 0.609 0.003 . 2 . . . . A 9 VAL HG11 . 31054 1 93 . 1 . 1 9 9 VAL HG12 H 1 0.609 0.003 . 2 . . . . A 9 VAL HG12 . 31054 1 94 . 1 . 1 9 9 VAL HG13 H 1 0.609 0.003 . 2 . . . . A 9 VAL HG13 . 31054 1 95 . 1 . 1 9 9 VAL HG21 H 1 0.463 0.002 . 2 . . . . A 9 VAL HG21 . 31054 1 96 . 1 . 1 9 9 VAL HG22 H 1 0.463 0.002 . 2 . . . . A 9 VAL HG22 . 31054 1 97 . 1 . 1 9 9 VAL HG23 H 1 0.463 0.002 . 2 . . . . A 9 VAL HG23 . 31054 1 98 . 1 . 1 9 9 VAL CA C 13 63.802 0.000 . 1 . . . . A 9 VAL CA . 31054 1 99 . 1 . 1 9 9 VAL CG1 C 13 20.796 0.000 . 2 . . . . A 9 VAL CG1 . 31054 1 100 . 1 . 1 9 9 VAL CG2 C 13 19.377 0.000 . 2 . . . . A 9 VAL CG2 . 31054 1 101 . 1 . 1 9 9 VAL N N 15 113.580 0.000 . 1 . . . . A 9 VAL N . 31054 1 102 . 1 . 1 10 10 PHE H H 1 8.259 0.001 . 1 . . . . A 10 PHE H . 31054 1 103 . 1 . 1 10 10 PHE HA H 1 4.665 0.001 . 1 . . . . A 10 PHE HA . 31054 1 104 . 1 . 1 10 10 PHE HB2 H 1 2.975 0.002 . 1 . . . . A 10 PHE HB2 . 31054 1 105 . 1 . 1 10 10 PHE HB3 H 1 3.373 0.000 . 1 . . . . A 10 PHE HB3 . 31054 1 106 . 1 . 1 10 10 PHE HD1 H 1 7.256 0.002 . 1 . . . . A 10 PHE HD1 . 31054 1 107 . 1 . 1 10 10 PHE HD2 H 1 7.256 0.002 . 1 . . . . A 10 PHE HD2 . 31054 1 108 . 1 . 1 10 10 PHE HE1 H 1 7.356 0.001 . 1 . . . . A 10 PHE HE1 . 31054 1 109 . 1 . 1 10 10 PHE HE2 H 1 7.356 0.001 . 1 . . . . A 10 PHE HE2 . 31054 1 110 . 1 . 1 10 10 PHE CA C 13 56.529 0.000 . 1 . . . . A 10 PHE CA . 31054 1 111 . 1 . 1 10 10 PHE CD1 C 13 131.525 0.000 . 1 . . . . A 10 PHE CD1 . 31054 1 112 . 1 . 1 10 10 PHE CD2 C 13 131.525 0.000 . 1 . . . . A 10 PHE CD2 . 31054 1 113 . 1 . 1 10 10 PHE N N 15 116.393 0.000 . 1 . . . . A 10 PHE N . 31054 1 114 . 1 . 1 11 11 ALA H H 1 7.751 0.001 . 1 . . . . A 11 ALA H . 31054 1 115 . 1 . 1 11 11 ALA HA H 1 4.552 0.003 . 1 . . . . A 11 ALA HA . 31054 1 116 . 1 . 1 11 11 ALA HB1 H 1 1.492 0.001 . 1 . . . . A 11 ALA HB1 . 31054 1 117 . 1 . 1 11 11 ALA HB2 H 1 1.492 0.001 . 1 . . . . A 11 ALA HB2 . 31054 1 118 . 1 . 1 11 11 ALA HB3 H 1 1.492 0.001 . 1 . . . . A 11 ALA HB3 . 31054 1 119 . 1 . 1 11 11 ALA CA C 13 51.304 0.000 . 1 . . . . A 11 ALA CA . 31054 1 120 . 1 . 1 11 11 ALA CB C 13 18.014 0.000 . 1 . . . . A 11 ALA CB . 31054 1 121 . 1 . 1 11 11 ALA N N 15 126.848 0.000 . 1 . . . . A 11 ALA N . 31054 1 122 . 1 . 1 12 12 PRO HA H 1 4.174 0.002 . 1 . . . . A 12 PRO HA . 31054 1 123 . 1 . 1 12 12 PRO HB2 H 1 2.362 0.001 . 2 . . . . A 12 PRO HB2 . 31054 1 124 . 1 . 1 12 12 PRO HB3 H 1 2.022 0.001 . 2 . . . . A 12 PRO HB3 . 31054 1 125 . 1 . 1 12 12 PRO HG2 H 1 2.210 0.002 . 2 . . . . A 12 PRO HG2 . 31054 1 126 . 1 . 1 12 12 PRO HG3 H 1 2.068 0.001 . 2 . . . . A 12 PRO HG3 . 31054 1 127 . 1 . 1 12 12 PRO HD2 H 1 4.011 0.001 . 2 . . . . A 12 PRO HD2 . 31054 1 128 . 1 . 1 12 12 PRO HD3 H 1 3.829 0.003 . 2 . . . . A 12 PRO HD3 . 31054 1 129 . 1 . 1 12 12 PRO CA C 13 66.185 0.000 . 1 . . . . A 12 PRO CA . 31054 1 130 . 1 . 1 12 12 PRO CB C 13 31.777 0.003 . 1 . . . . A 12 PRO CB . 31054 1 131 . 1 . 1 12 12 PRO CG C 13 27.472 0.002 . 1 . . . . A 12 PRO CG . 31054 1 132 . 1 . 1 12 12 PRO CD C 13 50.258 0.000 . 1 . . . . A 12 PRO CD . 31054 1 133 . 1 . 1 13 13 ILE H H 1 8.015 0.001 . 1 . . . . A 13 ILE H . 31054 1 134 . 1 . 1 13 13 ILE HA H 1 4.253 0.001 . 1 . . . . A 13 ILE HA . 31054 1 135 . 1 . 1 13 13 ILE HB H 1 1.937 0.002 . 1 . . . . A 13 ILE HB . 31054 1 136 . 1 . 1 13 13 ILE HG12 H 1 1.328 0.003 . 2 . . . . A 13 ILE HG12 . 31054 1 137 . 1 . 1 13 13 ILE HG13 H 1 1.518 0.001 . 2 . . . . A 13 ILE HG13 . 31054 1 138 . 1 . 1 13 13 ILE HG21 H 1 0.923 0.002 . 1 . . . . A 13 ILE HG21 . 31054 1 139 . 1 . 1 13 13 ILE HG22 H 1 0.923 0.002 . 1 . . . . A 13 ILE HG22 . 31054 1 140 . 1 . 1 13 13 ILE HG23 H 1 0.923 0.002 . 1 . . . . A 13 ILE HG23 . 31054 1 141 . 1 . 1 13 13 ILE HD11 H 1 0.922 0.002 . 1 . . . . A 13 ILE HD11 . 31054 1 142 . 1 . 1 13 13 ILE HD12 H 1 0.922 0.002 . 1 . . . . A 13 ILE HD12 . 31054 1 143 . 1 . 1 13 13 ILE HD13 H 1 0.922 0.002 . 1 . . . . A 13 ILE HD13 . 31054 1 144 . 1 . 1 13 13 ILE CA C 13 62.104 0.000 . 1 . . . . A 13 ILE CA . 31054 1 145 . 1 . 1 13 13 ILE N N 15 114.528 0.000 . 1 . . . . A 13 ILE N . 31054 1 146 . 1 . 1 14 14 CYS H H 1 7.959 0.002 . 1 . . . . A 14 CYS H . 31054 1 147 . 1 . 1 14 14 CYS HA H 1 4.745 0.002 . 1 . . . . A 14 CYS HA . 31054 1 148 . 1 . 1 14 14 CYS HB2 H 1 2.987 0.001 . 1 . . . . A 14 CYS HB2 . 31054 1 149 . 1 . 1 14 14 CYS HB3 H 1 3.193 0.004 . 1 . . . . A 14 CYS HB3 . 31054 1 150 . 1 . 1 14 14 CYS CA C 13 54.896 0.000 . 1 . . . . A 14 CYS CA . 31054 1 151 . 1 . 1 14 14 CYS N N 15 120.060 0.000 . 1 . . . . A 14 CYS N . 31054 1 152 . 1 . 1 15 15 ARG H H 1 7.804 0.001 . 1 . . . . A 15 ARG H . 31054 1 153 . 1 . 1 15 15 ARG HA H 1 4.342 0.002 . 1 . . . . A 15 ARG HA . 31054 1 154 . 1 . 1 15 15 ARG HB2 H 1 1.962 0.002 . 2 . . . . A 15 ARG HB2 . 31054 1 155 . 1 . 1 15 15 ARG HB3 H 1 1.849 0.001 . 2 . . . . A 15 ARG HB3 . 31054 1 156 . 1 . 1 15 15 ARG HG2 H 1 1.700 0.001 . 1 . . . . A 15 ARG HG2 . 31054 1 157 . 1 . 1 15 15 ARG HG3 H 1 1.700 0.001 . 1 . . . . A 15 ARG HG3 . 31054 1 158 . 1 . 1 15 15 ARG HD2 H 1 3.213 0.004 . 1 . . . . A 15 ARG HD2 . 31054 1 159 . 1 . 1 15 15 ARG HD3 H 1 3.213 0.004 . 1 . . . . A 15 ARG HD3 . 31054 1 160 . 1 . 1 15 15 ARG HE H 1 7.243 0.002 . 1 . . . . A 15 ARG HE . 31054 1 161 . 1 . 1 15 15 ARG CA C 13 56.736 0.000 . 1 . . . . A 15 ARG CA . 31054 1 162 . 1 . 1 15 15 ARG N N 15 121.362 0.000 . 1 . . . . A 15 ARG N . 31054 1 163 . 1 . 1 15 15 ARG NE N 15 84.139 0.000 . 1 . . . . A 15 ARG NE . 31054 1 164 . 1 . 1 16 16 GLY H H 1 8.444 0.001 . 1 . . . . A 16 GLY H . 31054 1 165 . 1 . 1 16 16 GLY HA2 H 1 3.932 0.003 . 2 . . . . A 16 GLY HA2 . 31054 1 166 . 1 . 1 16 16 GLY HA3 H 1 4.007 0.001 . 2 . . . . A 16 GLY HA3 . 31054 1 167 . 1 . 1 16 16 GLY CA C 13 45.421 0.000 . 1 . . . . A 16 GLY CA . 31054 1 168 . 1 . 1 16 16 GLY N N 15 110.037 0.000 . 1 . . . . A 16 GLY N . 31054 1 169 . 1 . 1 17 17 VAL H H 1 7.830 0.002 . 1 . . . . A 17 VAL H . 31054 1 170 . 1 . 1 17 17 VAL HA H 1 4.134 0.001 . 1 . . . . A 17 VAL HA . 31054 1 171 . 1 . 1 17 17 VAL HB H 1 2.082 0.000 . 1 . . . . A 17 VAL HB . 31054 1 172 . 1 . 1 17 17 VAL HG11 H 1 0.940 0.002 . 2 . . . . A 17 VAL HG11 . 31054 1 173 . 1 . 1 17 17 VAL HG12 H 1 0.940 0.002 . 2 . . . . A 17 VAL HG12 . 31054 1 174 . 1 . 1 17 17 VAL HG13 H 1 0.940 0.002 . 2 . . . . A 17 VAL HG13 . 31054 1 175 . 1 . 1 17 17 VAL HG21 H 1 0.922 0.002 . 2 . . . . A 17 VAL HG21 . 31054 1 176 . 1 . 1 17 17 VAL HG22 H 1 0.922 0.002 . 2 . . . . A 17 VAL HG22 . 31054 1 177 . 1 . 1 17 17 VAL HG23 H 1 0.922 0.002 . 2 . . . . A 17 VAL HG23 . 31054 1 178 . 1 . 1 17 17 VAL CA C 13 61.954 0.000 . 1 . . . . A 17 VAL CA . 31054 1 179 . 1 . 1 17 17 VAL N N 15 119.125 0.000 . 1 . . . . A 17 VAL N . 31054 1 180 . 1 . 1 18 18 ALA H H 1 8.464 0.001 . 1 . . . . A 18 ALA H . 31054 1 181 . 1 . 1 18 18 ALA HA H 1 4.318 0.001 . 1 . . . . A 18 ALA HA . 31054 1 182 . 1 . 1 18 18 ALA HB1 H 1 1.380 0.002 . 1 . . . . A 18 ALA HB1 . 31054 1 183 . 1 . 1 18 18 ALA HB2 H 1 1.380 0.002 . 1 . . . . A 18 ALA HB2 . 31054 1 184 . 1 . 1 18 18 ALA HB3 H 1 1.380 0.002 . 1 . . . . A 18 ALA HB3 . 31054 1 185 . 1 . 1 18 18 ALA CA C 13 52.228 0.000 . 1 . . . . A 18 ALA CA . 31054 1 186 . 1 . 1 18 18 ALA CB C 13 19.064 0.000 . 1 . . . . A 18 ALA CB . 31054 1 187 . 1 . 1 18 18 ALA N N 15 128.629 0.000 . 1 . . . . A 18 ALA N . 31054 1 188 . 1 . 1 19 19 ALA H H 1 7.988 0.002 . 1 . . . . A 19 ALA H . 31054 1 189 . 1 . 1 19 19 ALA HA H 1 4.093 0.000 . 1 . . . . A 19 ALA HA . 31054 1 190 . 1 . 1 19 19 ALA HB1 H 1 1.323 0.001 . 1 . . . . A 19 ALA HB1 . 31054 1 191 . 1 . 1 19 19 ALA HB2 H 1 1.323 0.001 . 1 . . . . A 19 ALA HB2 . 31054 1 192 . 1 . 1 19 19 ALA HB3 H 1 1.323 0.001 . 1 . . . . A 19 ALA HB3 . 31054 1 193 . 1 . 1 19 19 ALA CA C 13 53.606 0.000 . 1 . . . . A 19 ALA CA . 31054 1 194 . 1 . 1 19 19 ALA CB C 13 20.069 0.000 . 1 . . . . A 19 ALA CB . 31054 1 195 . 1 . 1 19 19 ALA N N 15 129.241 0.000 . 1 . . . . A 19 ALA N . 31054 1 stop_ save_